1-cyclopropyl-3-(3-methylpentan-3-yl)urea

C10H20N2O — CID 71875879

IUPAC1-cyclopropyl-3-(3-methylpentan-3-yl)urea
SMILESCCC(C)(CC)NC(=O)NC1CC1
InChIInChI=1S/C10H20N2O/c1-4-10(3,5-2)12-9(13)11-8-6-7-8/h8H,4-7H2,1-3H3,(H2,11,12,13)
InChIKeyUBANGUDNTIJCNP-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.03
Rot. Bonds4

About 1-cyclopropyl-3-(3-methylpentan-3-yl)urea

1-cyclopropyl-3-(3-methylpentan-3-yl)urea (PubChem CID 71875879) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3-methylpentan-3-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(3-methylpentan-3-yl)urea
PubChem CID71875879
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-cyclopropyl-3-(3-methylpentan-3-yl)urea
SMILESCCC(C)(CC)NC(=O)NC1CC1
InChIInChI=1S/C10H20N2O/c1-4-10(3,5-2)12-9(13)11-8-6-7-8/h8H,4-7H2,1-3H3,(H2,11,12,13)
InChIKeyUBANGUDNTIJCNP-UHFFFAOYSA-N
XLogP2.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3-methylpentan-3-yl)urea?
The IUPAC name of 1-cyclopropyl-3-(3-methylpentan-3-yl)urea (CID 71875879) is 1-cyclopropyl-3-(3-methylpentan-3-yl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(3-methylpentan-3-yl)urea?
The canonical SMILES for 1-cyclopropyl-3-(3-methylpentan-3-yl)urea is CCC(C)(CC)NC(=O)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(3-methylpentan-3-yl)urea?
The InChIKey is UBANGUDNTIJCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-10(3,5-2)12-9(13)11-8-6-7-8/h8H,4-7H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-cyclopropyl-3-(3-methylpentan-3-yl)urea?
1-cyclopropyl-3-(3-methylpentan-3-yl)urea has a molecular weight of 184.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3-methylpentan-3-yl)urea is sourced from PubChem (CID 71875879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).